SCHEMBL11417448

SCHEMBL11417448

CCN(CCC(=O)OC)c1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 10/20 0.47
▸ LMNA P02545 5/20 0.47
▸ USP2 O75604 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10893492 0.93 GFER (0.43) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL11506912 0.89 SMN1; SMN2 (0.50) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL397442 0.87 GFER (0.54) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL11136662 0.86 GFER (0.46) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL7819158 0.86 ALDH1A1 (0.61) GFERALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11594933 0.85 GFER (0.53) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL27993892 0.84 ALDH1A1 (0.41) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL9013746 0.84 MAPT (0.46) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL2068905 0.84 GFER (0.45) GFERALDH1A1MEN1KMT2AMAPT
SCHEMBL7038319 0.83 MEN1 (0.49) GFERALDH1A1MEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 — — US disclosed
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